(3S)-6-fluoro-3'-(2-methoxyethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione

C18H16FN3O3 — CID 94182883

IUPAC(3S)-6-fluoro-3'-(2-methoxyethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESCOCCN1C(=O)c2ccccc2N[C@]12C(=O)Nc1cc(F)ccc12
InChIInChI=1S/C18H16FN3O3/c1-25-9-8-22-16(23)12-4-2-3-5-14(12)21-18(22)13-7-6-11(19)10-15(13)20-17(18)24/h2-7,10,21H,8-9H2,1H3,(H,20,24)/t18-/m0/s1
InChIKeyJRUMNEVABKBROE-SFHVURJKSA-N
MW341.34 g/mol
LogP2.14
Rot. Bonds3

About (3S)-6-fluoro-3'-(2-methoxyethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione

(3S)-6-fluoro-3'-(2-methoxyethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (PubChem CID 94182883) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is (3S)-6-fluoro-3'-(2-methoxyethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.

Molecular Properties

Compound Name(3S)-6-fluoro-3'-(2-methoxyethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
PubChem CID94182883
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name(3S)-6-fluoro-3'-(2-methoxyethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESCOCCN1C(=O)c2ccccc2N[C@]12C(=O)Nc1cc(F)ccc12
InChIInChI=1S/C18H16FN3O3/c1-25-9-8-22-16(23)12-4-2-3-5-14(12)21-18(22)13-7-6-11(19)10-15(13)20-17(18)24/h2-7,10,21H,8-9H2,1H3,(H,20,24)/t18-/m0/s1
InChIKeyJRUMNEVABKBROE-SFHVURJKSA-N
XLogP2.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-fluoro-3'-(2-methoxyethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The IUPAC name of (3S)-6-fluoro-3'-(2-methoxyethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (CID 94182883) is (3S)-6-fluoro-3'-(2-methoxyethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.
What is the SMILES notation for (3S)-6-fluoro-3'-(2-methoxyethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The canonical SMILES for (3S)-6-fluoro-3'-(2-methoxyethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is COCCN1C(=O)c2ccccc2N[C@]12C(=O)Nc1cc(F)ccc12.
What is the InChIKey of (3S)-6-fluoro-3'-(2-methoxyethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The InChIKey is JRUMNEVABKBROE-SFHVURJKSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-25-9-8-22-16(23)12-4-2-3-5-14(12)21-18(22)13-7-6-11(19)10-15(13)20-17(18)24/h2-7,10,21H,8-9H2,1H3,(H,20,24)/t18-/m0/s1.
What are the key properties of (3S)-6-fluoro-3'-(2-methoxyethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
(3S)-6-fluoro-3'-(2-methoxyethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione has a molecular weight of 341.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-fluoro-3'-(2-methoxyethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is sourced from PubChem (CID 94182883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).